4-hydroxy-2-nitrobenzenediazonium

C6H4N3O3+ — CID 56925690

IUPAC4-hydroxy-2-nitrobenzenediazonium
SMILESN#[N+]c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O3/c7-8-5-2-1-4(10)3-6(5)9(11)12/h1-3H/p+1
InChIKeyMHMCIWFNZZEJQA-UHFFFAOYSA-O
MW166.12 g/mol
LogP1.78
Rot. Bonds1

About 4-hydroxy-2-nitrobenzenediazonium

4-hydroxy-2-nitrobenzenediazonium (PubChem CID 56925690) has the molecular formula C6H4N3O3+ and a molecular weight of 166.12 g/mol. Its IUPAC name is 4-hydroxy-2-nitrobenzenediazonium.

Molecular Properties

Compound Name4-hydroxy-2-nitrobenzenediazonium
PubChem CID56925690
Molecular FormulaC6H4N3O3+
Molecular Weight166.12 g/mol
Exact Mass166.02
IUPAC Name4-hydroxy-2-nitrobenzenediazonium
SMILESN#[N+]c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O3/c7-8-5-2-1-4(10)3-6(5)9(11)12/h1-3H/p+1
InChIKeyMHMCIWFNZZEJQA-UHFFFAOYSA-O
XLogP1.78
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-nitrobenzenediazonium
CID 10352853
4-hydroxy-2-nitrophenolate
CID 36690956
4-methyl-3-nitrophenol
CID 16271
3-amino-4-nitrophenol;ethane
CID 142035460
4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol
CID 19786005
4-amino-3-nitrophenol;3,4-dihydroxycyclobut-3-ene-1,2-dione
CID 154809804
2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
CID 14204964
4-nitro-3-sulfanylphenol
CID 91873870
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
4-(methylamino)-3-nitrophenol
CID 22832045
4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
CID 3092239
3-nitro-4-prop-1-en-2-ylphenol
CID 155581296

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-nitrobenzenediazonium?
The IUPAC name of 4-hydroxy-2-nitrobenzenediazonium (CID 56925690) is 4-hydroxy-2-nitrobenzenediazonium.
What is the SMILES notation for 4-hydroxy-2-nitrobenzenediazonium?
The canonical SMILES for 4-hydroxy-2-nitrobenzenediazonium is N#[N+]c1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-2-nitrobenzenediazonium?
The InChIKey is MHMCIWFNZZEJQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H3N3O3/c7-8-5-2-1-4(10)3-6(5)9(11)12/h1-3H/p+1.
What are the key properties of 4-hydroxy-2-nitrobenzenediazonium?
4-hydroxy-2-nitrobenzenediazonium has a molecular weight of 166.12 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-nitrobenzenediazonium is sourced from PubChem (CID 56925690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).